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Institut for Kemi

Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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Barzgar, S., Yan, Y., Tarik, M., Skibsted, J., Ludwig, C. & Lothenbach, B. (2022). A long-term study on structural changes in calcium aluminate silicate hydrates. Materials and Structures/Materiaux et Constructions, 55(10), Artikel 243. https://doi.org/10.1617/s11527-022-02080-x

Zhou, Q., Thøgersen, M. K., Rezayee, N. M., Jørgensen, K. A. & Houk, K. N. (2022). Ambimodal Bispericyclic [6 + 4]/[4 + 6] Transition State Competes with Diradical Pathways in the Cycloheptatriene Dimerization: Dynamics and Experimental Characterization of Thermal Dimers. Journal of the American Chemical Society, 144(48), 22251-22261. https://doi.org/10.1021/jacs.2c10407

Liu, Y., Xie, H.-B., Ma, F., Chen, J. & Elm, J. (2022). Amine-Enhanced Methanesulfonic Acid-Driven Nucleation: Predictive Model and Cluster Formation Mechanism. Environmental Science & Technology, 56(12), 7751-7760. https://doi.org/10.1021/acs.est.2c01639

Pedersen, J. S., Møller, T. L., Raak, N. & Corredig, M. (2022). A model on an absolute scale for the small-angle X-ray scattering from bovine casein micelles. Soft Matter, 47, 8613-8625. https://doi.org/10.1039/D2SM00724J

Chacón-Parra, A., Lewis, D., Glasius, M. & van Eyk, P. (2022). A multi-component reaction kinetics model for the hydrothermal liquefaction of carbohydrates and co-liquefaction to produce 5-ethoxymethyl furfural. Fuel, 311, Artikel 122499. https://doi.org/10.1016/j.fuel.2021.122499

Dal Sasso, G., Dalconi, M. C., Ferrari, G., Pedersen, J. S., Tamburini, S., Bertolotti, F., Guagliardi, A., Bruno, M., Valentini, L. & Artioli, G. (2022). An Atomistic Model Describing the Structure and Morphology of Cu-Doped C-S-H Hardening Accelerator Nanoparticles. Nanomaterials, 12(3), Artikel 342. https://doi.org/10.3390/nano12030342

Sørensen, D. R., Drejer, A. Ø., Heere, M., Senyshyn, A., Frontzek, M., Hansen, T., Didier, C., Peterson, V. K., Bomholdt Ravnsbæk, D. & Jørgensen, M. R. V. (2022). An Easy-to-Use Custom-Built Cell for Neutron Powder Diffraction Studies of Rechargeable Batteries. Chemistry-Methods, 2(10), Artikel e202200046. https://doi.org/10.1002/cmtd.202200046

Hawkins, B. A., Du, J. J., Lai, F., Stanton, S. A., Williams, P. A., Groundwater, P. W., Platts, J. A., Overgaard, J. & Hibbs, D. E. (2022). An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization. RSC Advances, 12(25), 15670-15684. https://doi.org/10.1039/d1ra08389a

Grønbech, T. B. E., Tolborg, K., Ceresoli, D. & Iversen, B. B. (2022). Anharmonic motion and aspherical nuclear probability density functions in cesium halides. Physical Review B, 105(10), Artikel 104113. https://doi.org/10.1103/PhysRevB.105.104113

Wei, S. (2022). Anomalous liquids on a new landscape: From water to phase-change materials. Journal of Non-Crystalline Solids: X, 14, Artikel 100094. https://doi.org/10.1016/j.nocx.2022.100094

Trinderup, H. H., Sandgaard, T. L. P., Juul-Madsen, L. & Jensen, H. H. (2022). Anomeric Thioglycosides Give Different Anomeric Product Distributions under NIS/TfOH Activation. Journal of Organic Chemistry, 87(6), 4154-4167. https://doi.org/10.1021/acs.joc.1c03001

Nielsen, C. L., Martinez Turtos, R., Bondesgaard, M., Nyemann, J. S., Jensen, M. L., Iversen, B. B., Muren, L., Julsgaard, B. & Balling, P. (2022). A novel nano-composite material for optically stimulated luminescence dosimetry. Nano Letters, 22(4), 1566-1572. https://doi.org/10.1021/acs.nanolett.1c04384

Kim, B. B., Wu, H., Hao, Y. A., Pan, M., Chavarha, M., Zhao, Y., Westberg, M., St-Pierre, F., Wu, J. C. & Lin, M. Z. (2022). A red fluorescent protein with improved monomericity enables ratiometric voltage imaging with ASAP3. Scientific Reports, 12(1), Artikel 3678. https://doi.org/10.1038/s41598-022-07313-1

Cherepanov, I. N., Bighin, G., Schouder, C. A., Chatterley, A. S., Stapelfeldt, H. & Lemeshko, M. (2022). A simple model for high rotational excitations of molecules in a superfluid. New Journal of Physics, 24(7), Artikel 075004. https://doi.org/10.1088/1367-2630/ac8113

Hasegawa, H., Walmsley, T., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Asymmetric Dissociative Tunneling Ionization of Tetrafluoromethane in ω − 2ω Intense Laser Fields. Frontiers in Chemistry, 10, Artikel 857863. https://doi.org/10.3389/fchem.2022.857863

Fu, Z., Xie, H. B., Elm, J., Liu, Y., Fu, Z. & Chen, J. (2022). Atmospheric Autoxidation of Organophosphate Esters. Environmental Science & Technology, 56(11), 6944–6955. https://doi.org/10.1021/acs.est.1c04817

Xue, J., Ma, F., Elm, J., Chen, J. & Xie, H.-B. (2022). Atmospheric oxidation mechanism and kinetics of indole initiated by •OH and •Cl: a computational study. Atmospheric Chemistry and Physics, 22(17), 11543-11555. https://doi.org/10.5194/acp-22-11543-2022

Htet, C. S., Nayak, S., Manjón-Sanz, A., Liu, J., Kong, J., Sørensen, D. R., Marlton, F. P., Jørgensen, M. R. V. & Pramanick, A. (2022). Atomic structural mechanism for ferroelectric-antiferroelectric transformation in perovskite NaNbO₃. Physical Review B, 105(17), Artikel 174113. https://doi.org/10.1103/PhysRevB.105.174113

Goesten, M. (2022). Be–Be π-Bonding and Predicted Superconductivity in MBe₂(M=Zr, Hf). Angewandte Chemie International Edition, 61(4), Artikel e202114303. https://doi.org/10.1002/anie.202114303

Ladefoged, L. K., Koch, R., Biggin, P. C. & Schiøtt, B. (2022). Binding and Activation of Serotonergic G-Protein Coupled Receptors by the Multimodal Antidepressant Vortioxetine. ACS Chemical Neuroscience, 13(8), 1129-1142. https://doi.org/10.1021/acschemneuro.1c00029

Højlund, M. G., Jensen, A. B., Zoccante, A. & Christiansen, O. (2022). Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition. Journal of Chemical Physics, 157(23), Artikel 234104. https://doi.org/10.1063/5.0127431

Wittig, N. K. & Birkedal, H. (2022). Bone hierarchical structure: spatial variation across length scales. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, B78(Part 3, Number 1), 305-311. https://doi.org/10.1107/S2052520622001524

Chatterley, A. S., Laity, P., Holland, C., Weidner, T., Woutersen, S. & Giubertoni, G. (2022). Broadband Multidimensional Spectroscopy Identifies the Amide II Vibrations in Silkworm Films. Molecules, 27(19), Artikel 6275. https://doi.org/10.3390/molecules27196275

Christensen, O., Zhao, S., Sun, Z., Bagger, A., Lauritsen, J. V., Pedersen, S. U., Daasbjerg, K. & Rossmeisl, J. (2022). Can the CO₂Reduction Reaction Be Improved on Cu: Selectivity and Intrinsic Activity of Functionalized Cu Surfaces. ACS Catalysis, 12(24), 15737-15749. https://doi.org/10.1021/acscatal.2c04200

Köhn, A. & Olsen, J. (2022). Capabilities and limits of the unitary coupled-cluster approach with generalized two-body cluster operators. Journal of Chemical Physics, 157(12), Artikel 124110. https://doi.org/10.1063/5.0104815

Franco, F., Meninno, S., Overgaard, J., Rossi, S., Benaglia, M. & Lattanzi, A. (2022). Catalytic Enantioselective Entry to Triflones Featuring a Quaternary Stereocenter. Organic Letters, 24(24), 4371-4376. https://doi.org/10.1021/acs.orglett.2c01589

Zhao, S., Liang, H. Q., Hu, X. M., Li, S. & Daasbjerg, K. (2022). Challenges and Prospects in the Catalytic Conversion of Carbon Dioxide to Formaldehyde. Angewandte Chemie - International Edition, 61(46), Artikel e202204008. https://doi.org/10.1002/anie.202204008

Nie, S. & Skibsted, J. (2022). Characterization of Monochromate and Hemichromate AFm Phases and Chromate-Containing Ettringite by¹H,²⁷Al, and⁵³Cr MAS NMR Spectroscopy. Minerals, 12(3), Artikel 371. https://doi.org/10.3390/min12030371

Skibsted, J. (2022). Characterization of supplementary cementitious materials and their quantification in cement blends by solid-state NMR. I Industrial Waste: Characterization, Modification and Applications of Residues (s. 3-32). De Gruyter. https://doi.org/10.1515/9783110674941-001

Jørgensen, L. R. & Iversen, B. B. (2022). Characterizing thermoelectric stability. Dalton Transactions, 51(10), 3807-3816. https://doi.org/10.1039/d1dt04001d

Glasius, M., Thomsen, D., Wang, K., Iversen, L. S., Duan, J. & Huang, R. J. (2022). Chemical characteristics and sources of organosulfates, organosulfonates, and carboxylic acids in aerosols in urban Xi'an, Northwest China. Science of the Total Environment, 810, Artikel 151187. https://doi.org/10.1016/j.scitotenv.2021.151187

Kjaersgaard, N. L., Nielsen, T. B. & Gothelf, K. V. (2022). Chemical Conjugation to Less Targeted Proteinogenic Amino Acids. ChemBioChem, 23(19), Artikel e202200245. https://doi.org/10.1002/cbic.202200245

Singh, G., Phalgune, U. D., Madhu, P. K., Nielsen, N. C. & Ganapathy, S. (2022). Chemical shielding and electric field gradient tensors of disodium 5′-adenosine triphosphate trihydrate determined by solid-state NMR spectroscopy and ab initio calculations. Journal of Magnetic Resonance, 10-11, Artikel 100051. https://doi.org/10.1016/j.jmro.2022.100051

Montasell, M. C., Monge, P., Carmali, S., Dias Loiola, L. M., Andersen, D. G., Løvschall, K. B., Søgaard, A. B., Kristensen, M. M., Pütz, J. M. & Zelikin, A. N. (2022). Chemical zymogens for the protein cysteinome. Nature Communications, 13(1), Artikel 4861. https://doi.org/10.1038/s41467-022-32609-1

Elm, J. (2022). Clusteromics III: Acid Synergy in Sulfuric Acid-Methanesulfonic Acid-Base Cluster Formation. ACS Omega, 7(17), 15206-15214. https://doi.org/10.1021/acsomega.2c01396

Knattrup, Y. & Elm, J. (2022). Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation. ACS Omega, 7(35), 31551–31560. https://doi.org/10.1021/acsomega.2c04278

Høyer, N. M., Kjeldal, F. O., Hillers-Bendtsen, A. E., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2022). Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian. Journal of Chemical Physics, 157(2), Artikel 024106. https://doi.org/10.1063/5.0082583

Hillers-Bendtsen, A. E., Høyer, N. M., Kjeldal, F. Ø., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2022). Cluster perturbation theory. VIII. First order properties for a coupled cluster state. Journal of Chemical Physics, 157(2), Artikel 024108. https://doi.org/10.1063/5.0082585

Olsen, J., Hillers-Bendtsen, A. E., Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, K. V. & Jørgensen, P. (2022). Cluster perturbation theory. VII. The convergence of cluster perturbation expansions. Journal of Chemical Physics, 157(2), Artikel 024107. https://doi.org/10.1063/5.0082584

Shyam, P., Mørch, M., Eikeland, A. Z., Ahlburg, J., Mamakhel, A., Saura-Múzquiz, M. & Christensen, M. (2022). Combined characterization approaches to investigate magnetostructural effects in exchange-spring ferrite nanocomposite magnets. Materials Chemistry Frontiers, 6(17), 2422-2437. https://doi.org/10.1039/d2qm00091a

Birkedal, H. (2022). Comment on Quantitative Evaluation of Osteocyte Morphology and Bone Anisotropic Extracellular Matrix in Rat Femur. Calcified Tissue International, 110(1), 143-143. https://doi.org/10.1007/s00223-021-00902-8

Bertelsen, A. D., Hansen, A. R., Broge, N. L. N., Mamakhel, A., Bondesgaard, M. & Iversen, B. B. (2022). Composition space of PtIrPdRhRu high entropy alloy nanoparticles synthesized by solvothermal reactions. Chemical Communications, 58(91), 12672-12675. https://doi.org/10.1039/d2cc04827b

Jensen, F. (2022). Computational Chemistry: The Exciting Opportunities and the Boring Details. Israel Journal of Chemistry, 62(1-2), Artikel e202100027. https://doi.org/10.1002/ijch.202100027

Goesten, M., Xia, Y., Aschauer, U. & Amsler, M. (2022). Conformational Gap Control in CsTaS₃. Journal of the American Chemical Society, 144(8), 3398–3410. https://doi.org/10.1021/jacs.1c10947

Santorelli, A. & Gothelf, K. V. (2022). Conjugation of chemical handles and functional moieties to DNA during solid phase synthesis with sulfonyl azides. Nucleic Acids Research, 50(13), 7235-7246. https://doi.org/10.1093/nar/gkac566

Corti, V., Thøgersen, M. K., Enemærke, V. J., Rezayee, N. M., Barløse, C. L. & Anker Jørgensen, K. (2022). Construction of C-N Atropisomers by Aminocatalytic Enantioselective Addition of Indole-2-carboxaldehydes to o-Quinone Derivatives. Chemistry - A European Journal, 28(60), Artikel e202202395. https://doi.org/10.1002/chem.202202395

Rasmussen, F. R., Kubecka, J. & Elm, J. (2022). Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere. The Journal of Physical Chemistry A, 126(40), 7127–7136. https://doi.org/10.1021/acs.jpca.2c04468

Mishra, M. K., Smetana, V., Hiti, E. A., Wineinger, H. B., Qu, F., Mudring, A.-V. & Rogers, R. D. (2022). CO₂ capture from ambient air via crystallization with tetraalkylammonium hydroxides. Dalton Transactions , 51(46), 17724-17732. https://doi.org/10.1039/d2dt02262a

Kotur, B., Babizhetskyy, V., Smetana, V., Zheng, C. & Mudring, A. V. (2022). Crystal and electronic structures of a new hexagonal silicide Sc₃₈Co₁₄₄Si₉₇. Journal of Solid State Chemistry, 316, Artikel 123586. https://doi.org/10.1016/j.jssc.2022.123586

Nabahat, M., Amini, N., Pineda, E., Yang, F., Qiao, J., Ruta, B. & Crespo, D. (2022). Delayed elasticity of metallic glasses: Loading time and temperature dependences of the anelastic relaxation. Physical Review Materials, 6(12), Artikel 125601. https://doi.org/10.1103/PhysRevMaterials.6.125601

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Institut for Kemi